(4-bromo-phenyl)-dithiocarbamic acid | 15964-00-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-bromo-phenyl)-dithiocarbamic acid
• 英文别名: (4-Brom-phenyl)-dithiocarbamidsaeure；(4-Bromophenyl)carbamodithioic acid
• CAS: 15964-00-8
• 化学式: C₇H₆BrNS₂
• 分子量: 248.167
• InChiKey: HVNAVIXSPCPADJ-UHFFFAOYSA-N

物化性质

• 沸点：
  298.7±42.0 °C(Predicted)
• 密度：
  1.722±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-bromo-phenyl)-dithiocarbamic acid 在 盐酸 、 aluminum oxide 、 sodium monochloroacetic acid 作用下， 以 水 为溶剂， 反应 4.03h， 生成 methyl (R)-4-((5R,8S,9S,10R,13R,14S,17R)-3,6-bis(2-((4-bromophenyl)carbamothioyl)hydrazineylidene)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
  参考文献：
  名称：

  Synthesis of new hyodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave

  摘要：

  An efficient and simple method for synthesis of new hyodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave has been developed. Its main advantages are short reaction times, good conversions and the environmentally friendly nature of the process. The preliminary results indicate that some of these compounds possess inhibitory effects against E. coli. (C) 2010 Zhi Gang Zhao. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.10.020
• 作为产物：
  描述：

  二硫化碳 、 4-溴苯胺 在 氨 作用下， 以 乙醇 、 水 为溶剂， 生成 (4-bromo-phenyl)-dithiocarbamic acid
  参考文献：
  名称：

  微波辐射下无溶剂合成吲哚基缩氨基硫脲

  摘要：

  开发了一种快速、高效且环保的方法，用于在微波辅助无溶剂条件下以氧化铝为固体载体合成吲哚-3-甲醛缩氨基硫脲。与常规加热方法相比，该方法得到的目标产物收率良好。

  DOI：

  10.3184/030823410x12628833270368

文献信息

• Microwave-Assisted Synthesis of New Steroidal Thiosemicarbazones Derived from methyl 3-Oxocholanate under Solvent-Free Conditions
  作者：Zhigang Zhao、Xingli Liu、Lingling Liu、Guohua Li

  DOI：10.3184/030823410x12798092457988

  日期：2010.8

  A series of novel steroidal thiosemicarbazones derived from methyl 3-oxocholanate were synthesised in good yields via microwave irradiation under solvent-free conditions. The structures of the compounds were confirmed by spectroscopic data. Compared to the conventional method, microwave irradiation was a fast and simple method. These compounds were tested for antibacterial activity against S. aureus, S. pyogenes, and E. coli bacteria.

  在无溶剂条件下，通过微波辐照合成了一系列新型甾体硫代氨基甲酸甲酯。光谱数据证实了这些化合物的结构。与传统方法相比，微波辐照是一种快速而简单的方法。测试了这些化合物对金黄色葡萄球菌、化脓性葡萄球菌和大肠杆菌的抗菌活性。
• Synthesis of Novel Alkoxycarbonyl Thiosemicarbazide Molecular Tweezers derived from Deoxycholic Acid under Microwave Irradiation
  作者：Yu Chen、ZhiGang Zhao、XingLi Liu、ZhiChuan Shi

  DOI：10.3184/030823410x520732

  日期：2010.7

  3α-(1-naphthoyl) deoxycholic acid methyl ester were synthesised under microwave irradiation. Their structures were characterised by 1H NMR, IR, MS spectra and elemental analysis. Their chiral recognition properties for the methyl esters of amino acids were investigated. The preliminary results showed that these molecular tweezers have good enantioselective recognition for D/L-amino acid methyl esters.

  在微波辐射下合成了一系列基于3α-​​(1-萘甲酰基)脱氧胆酸甲酯的新型12α-烷氧基羰基氨基硫脲分子镊子。它们的结构通过1H NMR、IR、MS光谱和元素分析表征。研究了它们对氨基酸甲酯的手性识别特性。初步结果表明，这些分子镊子对D/L-氨基酸甲酯具有良好的对映选择性识别。
• Synthesis of thioureido peptidomimetics employing alkyl azides and dithiocarbamates
  作者：L. Roopesh Kumar、Veladi Panduranga、T. M. Vishwanatha、Shekharappa Shekharappa、Vommina. V. Sureshbabu

  DOI：10.1039/c8ob00239h

  日期：——

  An unprecedented approach for the assembly of thioureido peptidomimetics is developed employing alkyl azides and dithiocarbamates. Dithiocarbamates react with alkyl azides with the liberation of N2 and elemental sulfur thereby leading to thiourea in a traceless manner. Thioureido peptidomimetics are thus furnished in good yields with no epimerization. This process is mild, free from the use of a base

  利用烷基叠氮化物和二硫代氨基甲酸酯开发了一种用于组装硫脲基拟肽的前所未有的方法。二硫代氨基甲酸酯与烷基叠氮化物反应，释放出N 2和元素硫，从而无痕地生成硫脲。硫脲基肽模拟物因此以高产率提供而没有差向异构化。这个过程是温和的，没有使用基础的，可扩展的和逐步的经济性。该方法的实用性已经通过N，N′-正交保护的硫脲基肽模拟物的合成得到强调。
• Trialkylamine salts of dithiocarbanilic acids
  申请人：DOW CHEMICAL CO

  公开号：US02827483A1

  公开（公告）日：1958-03-18
• Design, synthesis and biological evaluation of novel thiosemicarbazide analogues as potent anticonvulsant agents
  作者：Reshma J. Nevagi、Avinash S. Dhake、Harsha I. Narkhede、Prabhjeet Kaur

  DOI：10.1016/j.bioorg.2014.04.002

  日期：2014.6

  Novel thiosemicarbazide derivatives were synthesised and evaluated for their anticonvulsant activity and neurotoxicity. Anticonvulsant activity was done for grand mal and petit mal types of epilepsies by maximal electroshock (MES) and pentylenetetrazol (PTZ) induced convulsions methods respectively. Rotarod test was done to determine neurotoxicity. Amongst synthesised compounds, N-(4-bromophenyl) 2-[(2-phenylhydrazinyl) carbonothioyl] hydrazinecarbothioamide (5e) is a broad-spectrum anticonvulsant agent since it was active in both (MES) and (PTZ) induced seizure models with no neurotoxicity and N, N-(bis(chlorophenyl) hydrazine-1,2-dicarbothoamide (5g) acts as a selective agent for grand mal epilepsy. (C) 2014 Elsevier Inc. All rights reserved.